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UL2 : Summary
Code ![](/pdbe/static/images/help.png)
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UL2
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C20 H22 N2 O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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354.4 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCC[CH](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc3C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 |
Canonical SMILES
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CACTVS |
3.385 |
CCC[C@@H](NC(=O)c1ccc2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H22N2O4/c1-3-6-15(18(23)14-8-5-4-7-12(14)2)21-19(24)13-9-10-17-16(11-13)22-20(25)26-17/h4-5,7-11,15,18,23H,3,6H2,1-2H3,(H,21,24)(H,22,25)/t15-,18+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SNFRXTGIONJORR-QAPCUYQASA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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48 (26 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2021-03-01
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Last modified at ![](/pdbe/static/images/help.png)
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2021-04-02
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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